SCHEMBL636006

SCHEMBL636006

Cc1cccc2cc3c(=O)n(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)cc(C(=O)O)c3nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
LIPG Q9Y5X9 3/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
LPL P06858 2/20 0.33
HTT P42858 2/20 0.33
P4HB P07237 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PABPC1 P11940 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL635665 0.85 RAD52 (0.40) KDM4EALDH1A1HTTMAPTHSD17B10
SCHEMBL635071 0.84 KDM4E (0.52) KDM4ELMNAALDH1A1HPGDLPAR5
SCHEMBL634259 0.82 KDM4E (0.55) KDM4ELMNAALDH1A1HPGDLPAR5
SCHEMBL4105342 0.81 KDM4E (0.41) KDM4ELMNAALDH1A1HPGDLPAR5
SCHEMBL634242 0.77 LPAR5 (0.49) KDM4EALDH1A1HPGDLPAR5
SCHEMBL634087 0.74 KDM4E (0.41) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL30122318 0.74 KDM4E (0.41) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL635320 0.71 KMT2A (0.44) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL4103482 0.71 KDM4E (0.41) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL634012 0.70 KDM4E (0.40) KDM4ELMNAALDH1A1HPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI KDM4E 744/4885LMNA 609/4885ALDH1A1 657/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885LMNA 537/4885ALDH1A1 649/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.